Compound Detail
CHEMBL203990
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NCC(=O)N1[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)C[C@@H]2CCCC[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL203990 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | NLSPVAVHQSYFMU-BJDJZHNGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
-0.46
ALogP
5
HBA
4
HBD
150.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 4.65 | 4.65 | 22370.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 22370.0 | nM | 4.65 | Displacement of L-[3H]glutamate from glutamate receptor in rat brain synaptic me... | 16321525 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16321525 | 10.1016/j.bmcl.2005.11.040 | Glutamate NMDA receptor | 1 |
Data from ChEMBL 36 via Core Engine